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Iodine in PDB 7pcp: Crystal Structure of CD73 in Complex with 5-Iodouracil in the Open Form

Enzymatic activity of Crystal Structure of CD73 in Complex with 5-Iodouracil in the Open Form

All present enzymatic activity of Crystal Structure of CD73 in Complex with 5-Iodouracil in the Open Form:
3.1.3.5;

Protein crystallography data

The structure of Crystal Structure of CD73 in Complex with 5-Iodouracil in the Open Form, PDB code: 7pcp was solved by E.R.Scaletti, N.Strater, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.26 / 1.38
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 67.22, 131.82, 66.324, 90, 90, 90
R / Rfree (%) 12.5 / 16.6

Other elements in 7pcp:

The structure of Crystal Structure of CD73 in Complex with 5-Iodouracil in the Open Form also contains other interesting chemical elements:

Calcium (Ca) 1 atom
Zinc (Zn) 2 atoms

Iodine Binding Sites:

The binding sites of Iodine atom in the Crystal Structure of CD73 in Complex with 5-Iodouracil in the Open Form (pdb code 7pcp). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Crystal Structure of CD73 in Complex with 5-Iodouracil in the Open Form, PDB code: 7pcp:

Iodine binding site 1 out of 1 in 7pcp

Go back to Iodine Binding Sites List in 7pcp
Iodine binding site 1 out of 1 in the Crystal Structure of CD73 in Complex with 5-Iodouracil in the Open Form


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of CD73 in Complex with 5-Iodouracil in the Open Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I605

b:52.3
occ:0.70
 I5 A:IUR605 0.0 52.3 0.7
C5 A:IUR605 2.1 26.8 0.7
O A:HOH1104 3.0 13.0 0.5
C6 A:IUR605 3.1 29.3 0.7
C4 A:IUR605 3.1 27.2 0.7
O4 A:IUR605 3.5 24.1 0.7
CE1 A:PHE417 4.0 22.8 1.0
CD1 A:PHE417 4.2 20.7 1.0
N3 A:IUR605 4.4 28.3 0.7
N1 A:IUR605 4.4 35.9 0.7
CZ A:PHE417 4.6 20.0 1.0
CE1 A:PHE500 4.7 20.8 1.0
C2 A:IUR605 4.9 26.9 0.7
CG A:PHE417 5.0 15.8 1.0

Reference:

E.Scaletti, F.U.Huschmann, U.Mueller, M.S.Weiss, N.Strater. Substrate Binding Modes of Purine and Pyrimidine Nucleotides to Human Ecto-5'-Nucleotidase (CD73) and Inhibition By Their Bisphosphonic Acid Derivatives. Purinergic Signal 2021.
ISSN: ISSN 1573-9546
PubMed: 34403084
DOI: 10.1007/S11302-021-09802-W
Page generated: Mon Aug 12 01:54:30 2024

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